Density-Functional Theory of Atoms and Molecules (International Series of Monographs on Chemistry)

This book is a rigorous, unified account of the fundamental principles

of the density-functional theory of the electronic structure of matter

and its applications to atoms and molecules. Containing a detailed

discussion of the chemical potential and its derivatives, it provides

an understanding of the concepts of electronegativity, hardness and

softness, and chemical reactivity. Both the Hohenberg-Kohn-Sham and

the Levy-Lieb derivations of the basic theorems are presented, and

extensive references to the literature are included. Two introductory

chapters and several appendices provide all the background material

necessary beyond a knowledge of elementary quantum theory. The book

is intended for physicists, chemists, and advanced students in

chemistry.